1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C11H6F3NO2 — CID 708502

IUPAC1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-9(16)4-5-10(15)17/h1-6H
InChIKeyDQGGHYHHYCKIMR-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.13
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 708502) has the molecular formula C11H6F3NO2 and a molecular weight of 241.17 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID708502
Molecular FormulaC11H6F3NO2
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Name1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-9(16)4-5-10(15)17/h1-6H
InChIKeyDQGGHYHHYCKIMR-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 708502) is 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is DQGGHYHHYCKIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-9(16)4-5-10(15)17/h1-6H.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 241.17 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 708502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).